4-phenyl-1,3-dihydrobenzo[f][2]benzofuran

C18H14O — CID 15555108

IUPAC4-phenyl-1,3-dihydrobenzo[f][2]benzofuran
SMILESc1ccc(-c2c3c(cc4ccccc24)COC3)cc1
InChIInChI=1S/C18H14O/c1-2-6-13(7-3-1)18-16-9-5-4-8-14(16)10-15-11-19-12-17(15)18/h1-10H,11-12H2
InChIKeyDANGZJXBOAGESA-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.54
Rot. Bonds1

About 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran

4-phenyl-1,3-dihydrobenzo[f][2]benzofuran (PubChem CID 15555108) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran.

Molecular Properties

Compound Name4-phenyl-1,3-dihydrobenzo[f][2]benzofuran
PubChem CID15555108
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name4-phenyl-1,3-dihydrobenzo[f][2]benzofuran
SMILESc1ccc(-c2c3c(cc4ccccc24)COC3)cc1
InChIInChI=1S/C18H14O/c1-2-6-13(7-3-1)18-16-9-5-4-8-14(16)10-15-11-19-12-17(15)18/h1-10H,11-12H2
InChIKeyDANGZJXBOAGESA-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran?
The IUPAC name of 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran (CID 15555108) is 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran.
What is the SMILES notation for 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran?
The canonical SMILES for 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran is c1ccc(-c2c3c(cc4ccccc24)COC3)cc1.
What is the InChIKey of 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran?
The InChIKey is DANGZJXBOAGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-2-6-13(7-3-1)18-16-9-5-4-8-14(16)10-15-11-19-12-17(15)18/h1-10H,11-12H2.
What are the key properties of 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran?
4-phenyl-1,3-dihydrobenzo[f][2]benzofuran has a molecular weight of 246.31 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-dihydrobenzo[f][2]benzofuran is sourced from PubChem (CID 15555108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).